Information card for entry 2204027

Structure parameters

• Common name: Bis(dimethylammonium) 1,4-phenylenediacrylate
• Chemical name: Bis(dimethylammonium) 1,4-phenylenediacrylate
• Formula: C16 H24 N2 O4
• Calculated formula: C16 H24 N2 O4
• SMILES: C[NH2+]C.O=C(/C=C/c1ccc(/C=C/C(=O)[O-])cc1)[O-].C[NH2+]C
• Title of publication: Bis(dimethylammonium) 1,4-phenylenediacrylate
• Authors of publication: Wheeler, Kraig A.; Deschamps, Jeffrey R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1421 - o1423
• a: 5.827 ± 0.0007 Å
• b: 23.98 ± 0.003 Å
• c: 6.1406 ± 0.0008 Å
• α: 90°
• β: 92.306 ± 0.002°
• γ: 90°
• Cell volume: 857.34 ± 0.19 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes